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论文类型： 期刊论文

发表时间： 2012-06-01

发表刊物： FRONTIERS OF PHYSICS

收录刊物： SCIE

卷号： 7

期号： 3

页面范围： 360-365

ISSN号： 2095-0462

关键字： Fe-Cr alloys; mechanical properties; lattice constant; magnetic moment

摘要： The effect of chromium content on the fundamental mechanical properties of Fe-Cr alloys has been studied by first-principles calculations. Within a random solid solution model, the lattice constants and the elastic constants of ferromagnetic bcc Fe1-x Cr (x) (0a (c) 1/2 center dot a (c) 1/20.156) alloys were calculated for different compositions. With addition of Cr content, the lattice parameters of Fe-Cr alloys are larger than that of pure Fe solid, and the corresponding Young's modulus and shear modulus rise nonmonotonically with the increasing Cr content. All alloys (except 9.4 at% Cr) exhibit less ductile behavior compared with pure bcc Fe. For the Fe1-x Cr (x) (0a (c) 1/2 center dot a (c) 1/20.156) alloys, the average magnetic moment per atom decreases linearly with the increasing Cr concentration.